(2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-fluorophenyl)thio]propionamide Formula: C15H22FN3O2S MolecularWeight: 327.417483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)F)C(=O)NCCN(C)C

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)F)C(=O)NCCN(C)C

InChI

InChI=1S/C15H22FN3O2S/c1-11(20)18-14(15(21)17-8-9-19(2)3)10-22-13-6-4-12(16)5-7-13/h4-7,14H,8-10H2,1-3H3,(H,17,21)(H,18,20)/t14-/m1/s1